butyl 4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)CCC

InChI

InChI=1S/C18H24N4O3S/c1-3-5-11-25-17(24)13-7-9-14(10-8-13)19-16(23)12-26-18-20-15(6-4-2)21-22-18/h7-10H,3-6,11-12H2,1-2H3,(H,19,23)(H,20,21,22)